1-[di(propan-2-yl)amino]-7-methyloctan-4-one

C15H31NO — CID 161012016

IUPAC1-[di(propan-2-yl)amino]-7-methyloctan-4-one
SMILESCC(C)CCC(=O)CCCN(C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)9-10-15(17)8-7-11-16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyTXGADHWUQQZJPW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds9

About 1-[di(propan-2-yl)amino]-7-methyloctan-4-one

1-[di(propan-2-yl)amino]-7-methyloctan-4-one (PubChem CID 161012016) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-7-methyloctan-4-one.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-7-methyloctan-4-one
PubChem CID161012016
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[di(propan-2-yl)amino]-7-methyloctan-4-one
SMILESCC(C)CCC(=O)CCCN(C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)9-10-15(17)8-7-11-16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyTXGADHWUQQZJPW-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-7-methyloctan-4-one
CID 106798810
7-methyl-1-methylsulfonyloctan-4-one
CID 63192440
2-methyltetradecan-5-one
CID 19931308
2,8,9-trimethyldecan-5-one
CID 162772851
2,16-dimethylheptadecan-6-one
CID 158111781
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
CID 157073137
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
1-hydroxy-8-methylnonan-4-one
CID 87402189
7-methyl-1-(propan-2-yldisulfanyl)octan-4-one
CID 157489450
methyl 2-amino-9-methyl-6-oxodecanoate
CID 20715302
2-methylundecan-6-one
CID 86122551
2,8-dimethylnon-1-en-5-one
CID 114473507

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-7-methyloctan-4-one?
The IUPAC name of 1-[di(propan-2-yl)amino]-7-methyloctan-4-one (CID 161012016) is 1-[di(propan-2-yl)amino]-7-methyloctan-4-one.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-7-methyloctan-4-one?
The canonical SMILES for 1-[di(propan-2-yl)amino]-7-methyloctan-4-one is CC(C)CCC(=O)CCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-7-methyloctan-4-one?
The InChIKey is TXGADHWUQQZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)9-10-15(17)8-7-11-16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of 1-[di(propan-2-yl)amino]-7-methyloctan-4-one?
1-[di(propan-2-yl)amino]-7-methyloctan-4-one has a molecular weight of 241.42 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-7-methyloctan-4-one is sourced from PubChem (CID 161012016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).